Geometry & MOs

Info

ID:

108072

PubChem CID:

50229015

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

602.265296

ΔHf, kcal/mol:

-219.95

Dipole, Da:

3.17

IP(EA), eV:

 -8.7(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-carbamoylanilino)-2-oxoethyl]-1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC)C)NC(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations